SCHEMBL4690737

SCHEMBL4690737

CCCCCc1cc(OC)nn2c(-c3sc4ccc(F)cc4c3C)c(C)nc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.57
PDE10A Q9Y233 8/20 0.35
HTR1A P08908 4/20 0.34
PIK3CA P42336 1/20 0.31
ROCK1 Q13464 1/20 0.30
DHODH Q02127 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PTGS2 P35354 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4693477 0.88 CRHR1 (0.67) CRHR1PDE10AHTR1ADHODHADORA3
SCHEMBL4693619 0.88 CRHR1 (0.67) CRHR1PDE10AHTR1ADHODHADORA3
SCHEMBL4695461 0.86 CRHR1 (0.58) CRHR1PDE10ADHODHADORA3PTGDR2
SCHEMBL3964355 0.83 CRHR1 (0.79) CRHR1PDE10APIK3CAROCK1
SCHEMBL4690582 0.78 CRHR1 (0.53) CRHR1ROCK1ADORA3
SCHEMBL4689862 0.76 CRHR1 (0.45) CRHR1PDE10AADORA3
SCHEMBL3963171 0.75 CRHR1 (0.84) CRHR1PDE10AROCK1
SCHEMBL3967632 0.72 CRHR1 (1.00) CRHR1PDE10AROCK1
SCHEMBL3970579 0.72 CRHR1 (0.87) CRHR1PDE10AROCK1
SCHEMBL13763358 0.72 CRHR1 (1.00) CRHR1PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed